Crystallography Open Database

Information card for entry 1513598

Preview

Coordinates	1513598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N2 O7
Calculated formula	C20 H18 N2 O7
SMILES	o1c2ccccc2c2OC(=C(C(c2c1=O)(CC(=O)OCC)C(=O)OCC)C#N)N
Title of publication	Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media
Authors of publication	Pradhan, Koyel; Paul, Sanjay; Das, Asish R.
Journal of publication	Catalysis Science & Technology
Year of publication	2014
Journal volume	4
Journal issue	3
Pages of publication	822
a	7.8507 ± 0.0019 Å
b	8.48 ± 0.002 Å
c	15.77 ± 0.004 Å
α	96.715 ± 0.008°
β	90.412 ± 0.009°
γ	109.096 ± 0.008°
Cell volume	984.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513598.cif
105079	2014-03-11	cif/ Adding structures of 1513597, 1513598, 1513599 via cif-deposit CGI script.	1513598.cif